SCHEMBL6904680

SCHEMBL6904680

CCc1ccc2c(c1)C([Zr](=C(c1ccccc1)c1ccccc1)C1C(c3ccccc3)=Cc3ccccc31)c1cc(CC)ccc1-2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.32
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR2 P34972 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6905822 0.85 NPC1 (0.33) NPC1LMNAMAPK1RAB9AL3MBTL1
SCHEMBL6897216 0.82 L3MBTL1 (0.30) NPC1ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL6905233 0.79 NPC1 (0.31) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL6903953 0.78 NPC1 (0.35) EDNRBEDNRANPC1ALDH1A1LMNA
SCHEMBL6903385 0.78 NPC1 (0.33) EDNRBEDNRANPC1ALDH1A1LMNA
SCHEMBL5078596 0.77 NPC1 (0.30) NPC1RAB9A
SCHEMBL6899957 0.77 RAB9A (0.31) NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL19056287 0.77 EDNRB (0.32) BCL2EDNRBEDNRANPC1ALDH1A1
Hydrochloric Acid SCHEMBL19056232 0.76
SCHEMBL6907179 0.76 EDNRB (0.30) EDNRBEDNRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed
US-6716892-B1 PRINTED CIRCUIT BOARD; WATER SOLUBILITY; ACRYLATED POLYESTER URETHANE AND AN ACRYLATED EPOXY RESIN NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2004-04-06 US disclosed